(2-hydroxytrimethylene)bis[dimethyltetradecylammonium]dibromide, laurate

SpectraBase Compound ID	AbpIAChIj2o
InChI	InChI=1S/C47H98N2O2.2BrH/c1-8-11-14-17-20-23-25-27-30-33-36-39-42-48(4,5)44-46(51-47(50)41-38-35-32-29-22-19-16-13-10-3)45-49(6,7)43-40-37-34-31-28-26-24-21-18-15-12-9-2;;/h46H,8-45H2,1-7H3;2*1H/q+2;;/p-2
InChIKey	LBLNJXJGJAAEMK-UHFFFAOYSA-L Google Search
Mol Weight	883.121 g/mol
Molecular Formula	C47H98Br2N2O2
Exact Mass	880.599506 g/mol

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SpectraBase Spectrum ID	BBg6HyJv3GN
Name	(2-HYDROXYTRIMETHYLENE)BIS[DIMETHYLTETRADECYLAMMONIUM] DIBROMIDE, LAURATE
Source of Sample	F. DEVINSKY, KOMENSKY UNIVERSITY, BRATISLAVA, CZECHOSLOVAKIA
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C47H98Br2N2O2
InChI	InChI=1S/C47H98N2O2.2BrH/c1-8-11-14-17-20-23-25-27-30-33-36-39-42-48(4,5)44-46(51-47(50)41-38-35-32-29-22-19-16-13-10-3)45-49(6,7)43-40-37-34-31-28-26-24-21-18-15-12-9-2;;/h46H,8-45H2,1-7H3;2*1H/q+2;;/p-2
InChIKey	LBLNJXJGJAAEMK-UHFFFAOYSA-L
Melting Point	174-175C
Molecular Weight	883.115320
Synonyms	AMMONIUM DIBROMIDE, /2-HYDROXYTRI- METHYLENE/BIS/DIMETHYLTETRADECYL-, LAURATE
Technique	KBr FILM (CHCl3)